Abstract
It is shown how an exact set of equations for the envelope functions may be derived, the method being illustrated using a one-dimensional model with uniform lattice constant. The exact equations allow one to identify the terms that are implicitly omitted in the standard envelope function approximation and give valuable insight into the reasons for the latter's success. It is also shown that the probability current can be expressed exactly in terms of the envelope functions; no averaging over a unit cell is needed. The generalisations of the above results to three dimensions are stated. The results reported here provide a method for the exact determination of electronic energy levels in microstructures no matter how small, or an approximate method in which the effects of omitted terms can be estimated.
Keywords
Affiliated Institutions
Related Publications
Projector augmented-wave method
An approach for electronic structure calculations is described that generalizes both the pseudopotential method and the linear augmented-plane-wave (LAPW) method in a natural wa...
An Improved Calculation of the Energies of Metallic Li and Na
The method of calculation used in the present work is a modification of that used by Wigner and Seitz in their original calculations of the energies of metallic Li and Na. The m...
Finite-element analysis of quantum wells of arbitrary semiconductors with arbitrary potential profiles
A finite-element method for the analysis of eigenstates in a quantum well, which is based on the Galerkin procedure, is discussed. A general boundary condition of the envelope f...
Dynamical mean-field theory of strongly correlated fermion systems and the limit of infinite dimensions
We review the dynamical mean-field theory of strongly correlated electron systems which is based on a mapping of lattice models onto quantum impurity models subject to a self-co...
Electronic Structures of Molecules XI. Electroaffinity, Molecular Orbitals and Dipole Moments
A convenient criterion for defining equal electronegativity of two atoms is stated in terms of coefficients in LCAO approximate molecular orbitals. Connections between relative ...
Publication Info
- Year
- 1987
- Type
- article
- Volume
- 2
- Issue
- 7
- Pages
- 460-462
- Citations
- 33
- Access
- Closed
External Links
Social Impact
Social media, news, blog, policy document mentions
Citation Metrics
Cite This
Identifiers
- DOI
- 10.1088/0268-1242/2/7/012